2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-4-methoxypyrimidine IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-methoxypyrimidine Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C18H20N4OS/c1-23-17-6-7-19-18(20-17)22-10-8-21(9-11-22)12-14-13-24-16-5-3-2-4-15(14)16/h2-7,13H,8-12H2,1H3/p+1